%chk=000220573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220573

0 1
O -5.507998 0.861693 -0.695880
O -5.483023 -1.237709 -0.179345
N 2.967675 -0.177115 0.027354
N -4.940951 -0.152135 -0.318303
C 3.572487 1.194401 0.103488
C 3.739389 -1.053953 -0.916015
C 5.024108 1.097529 0.601396
C 5.194309 -1.182493 -0.434407
C 5.860475 0.193262 -0.312095
C 1.525696 -0.106249 -0.376393
C 0.687031 0.209960 0.880111
C -0.778118 0.117960 0.573413
C -1.481934 1.253537 0.133143
C -1.453573 -1.107832 0.715666
C -2.841061 1.171563 -0.158542
C -2.812330 -1.202105 0.427203
C -3.502165 -0.058994 -0.010327
H 2.972895 1.791659 0.824021
H 3.541959 1.730856 -0.869433
H 3.719429 -0.681107 -1.962475
H 3.261407 -2.057767 -0.914836
H 5.031874 0.692105 1.633351
H 5.466611 2.108264 0.658108
H 5.760281 -1.827666 -1.130290
H 5.210388 -1.691794 0.550453
H 5.970191 0.655338 -1.311192
H 6.884491 0.086359 0.091115
H 1.322409 0.644136 -1.169572
H 1.208276 -1.091170 -0.784886
H 0.952299 1.212306 1.274196
H 0.974869 -0.493150 1.693455
H -0.962134 2.204753 0.019617
H -0.909767 -1.990188 1.055223
H -3.399741 2.049687 -0.500586
H -3.348958 -2.151037 0.536261


%chk=000220573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220573

0 1
O -5.525095 0.881307 -0.924528
O -5.596279 -1.243174 -0.096430
N 2.996907 -0.185912 -0.009881
N -4.969995 -0.145821 -0.369529
C 3.594060 1.159734 0.189703
C 3.767967 -0.975492 -1.006974
C 5.055785 1.054946 0.671571
C 5.233020 -1.152079 -0.559199
C 5.901453 0.220620 -0.316882
C 1.552128 -0.141318 -0.316507
C 0.688917 0.176340 0.942326
C -0.793600 0.104073 0.633169
C -1.460467 1.198724 0.017105
C -1.537359 -1.075695 0.906600
C -2.826010 1.128597 -0.315915
C -2.904257 -1.169456 0.582689
C -3.531817 -0.060835 -0.027583
H 2.996465 1.711705 0.937730
H 3.561526 1.752655 -0.764021
H 3.752270 -0.481381 -2.015102
H 3.282965 -1.963575 -1.116735
H 5.067011 0.573093 1.668150
H 5.478012 2.072007 0.785314
H 5.784800 -1.725960 -1.328422
H 5.248964 -1.742512 0.377229
H 5.984463 0.765076 -1.280693
H 6.930195 0.088786 0.068075
H 1.309972 0.600283 -1.121131
H 1.251495 -1.135101 -0.699303
H 0.946551 1.184520 1.316682
H 0.967147 -0.549040 1.727206
H -0.901996 2.118255 -0.192864
H -1.036689 -1.925631 1.384070
H -3.352357 1.963950 -0.785294
H -3.489356 -2.068784 0.792372


